N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide

C19H21ClN2O3 — CID 136534339

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(O)cc(=O)n1CCC(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H21ClN2O3/c1-12-10-16(23)11-18(25)22(12)9-8-17(24)21-19(13-2-3-13)14-4-6-15(20)7-5-14/h4-7,10-11,13,19,23H,2-3,8-9H2,1H3,(H,21,24)
InChIKeyHWCDOKKAIJPTSQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 136534339) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID136534339
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(O)cc(=O)n1CCC(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H21ClN2O3/c1-12-10-16(23)11-18(25)22(12)9-8-17(24)21-19(13-2-3-13)14-4-6-15(20)7-5-14/h4-7,10-11,13,19,23H,2-3,8-9H2,1H3,(H,21,24)
InChIKeyHWCDOKKAIJPTSQ-UHFFFAOYSA-N
XLogP3.17
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide (CID 136534339) is N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide is Cc1cc(O)cc(=O)n1CCC(=O)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is HWCDOKKAIJPTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-10-16(23)11-18(25)22(12)9-8-17(24)21-19(13-2-3-13)14-4-6-15(20)7-5-14/h4-7,10-11,13,19,23H,2-3,8-9H2,1H3,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 360.84 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 136534339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).